SCHEMBL4539829

SCHEMBL4539829

O=c1cc(OCc2ccccc2F)cc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.63
ABL1 P00519 1/20 0.63
PPARG P37231 1/20 0.63
RIN1 Q13671 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
NCOR2 Q9Y618 1/20 0.63
PARP15 Q460N3 3/20 0.62
PARP10 Q53GL7 3/20 0.62
MAOB P27338 9/20 0.49
PARP14 Q460N5 1/20 0.48
AR P10275 1/20 0.46
HPD P32754 1/20 0.46
KCNH2 Q12809 1/20 0.44
SCN3A Q9NY46 1/20 0.44
PTPN1 P18031 1/20 0.43
EGFR P00533 1/20 0.42
GSK3B P49841 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL94520 0.84 NSD2 (0.54) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL6683297 0.82 NSD2 (0.55) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94569 0.81 NSD2 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1003252 0.78 NSD2 (0.55) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL136664 0.78 NSD2 (1.00) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL14151016 0.76 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL21580161 0.75 SCN3A (0.53) PARP15PARP10MAOBPARP14SCN3A
SCHEMBL1003510 0.75 NSD2 (0.71) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL3475457 0.73 NSD2 (0.64) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL27904706 0.73 NSD2 (0.88) NSD2ABL1PPARGRIN1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107466294-B Indole derivatives 吉瑞工厂 2020-01-17 CN disclosed
EP-3286193-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2018-02-28 EP disclosed
WO-2016166684-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-10-20 WO disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR NSD2 2048/4885ABL1 2355/4885PPARG 1639/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.